(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol

C15H24FN5O — CID 146341412

IUPAC(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESC=Nc1c(/C=C(\C)F)nc(N)nc1N[C@@](C)(CO)CCCC
InChIInChI=1S/C15H24FN5O/c1-5-6-7-15(3,9-22)21-13-12(18-4)11(8-10(2)16)19-14(17)20-13/h8,22H,4-7,9H2,1-3H3,(H3,17,19,20,21)/b10-8+/t15-/m1/s1
InChIKeyHJZHGUJJXSMWCR-TUPIDYKKSA-N
MW309.39 g/mol
LogP3.07
Rot. Bonds8

About (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol

(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 146341412) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID146341412
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC Name(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESC=Nc1c(/C=C(\C)F)nc(N)nc1N[C@@](C)(CO)CCCC
InChIInChI=1S/C15H24FN5O/c1-5-6-7-15(3,9-22)21-13-12(18-4)11(8-10(2)16)19-14(17)20-13/h8,22H,4-7,9H2,1-3H3,(H3,17,19,20,21)/b10-8+/t15-/m1/s1
InChIKeyHJZHGUJJXSMWCR-TUPIDYKKSA-N
XLogP3.07
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 178073861
[2-[(5-amino-[1,2]thiazolo[4,3-d]pyrimidin-7-yl)amino]-2-methylhexyl]urea
CID 163430886
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305693
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293364
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-5-[[but-3-enyl(propan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 176755016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol (CID 146341412) is (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol is C=Nc1c(/C=C(\C)F)nc(N)nc1N[C@@](C)(CO)CCCC.
What is the InChIKey of (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is HJZHGUJJXSMWCR-TUPIDYKKSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-5-6-7-15(3,9-22)21-13-12(18-4)11(8-10(2)16)19-14(17)20-13/h8,22H,4-7,9H2,1-3H3,(H3,17,19,20,21)/b10-8+/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 309.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 146341412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).