5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

C10H16N4O — CID 67478722

IUPAC5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC2CCOCC2)c(N)n1
InChIInChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H4,11,12,13,14)
InChIKeyPLOOBRHAGOGMSC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.61
Rot. Bonds2

About 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 67478722) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID67478722
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC2CCOCC2)c(N)n1
InChIInChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H4,11,12,13,14)
InChIKeyPLOOBRHAGOGMSC-UHFFFAOYSA-N
XLogP0.61
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-Methyl-5-propyl-4-pyrimidinyl)-1-oxa-8-azaspiro[4.5]decane
CID 56873308
5-Ethyl-4-(9-oxa-2-azaspiro[5.5]undec-2-yl)pyrimidin-2-amine
CID 72868640
2-Methyl-5-(tetrahydro-2H-pyran-4-yl)pyrimidine
CID 132531110
5-(3-Methylbutan-2-yl)pyrimidine-2,4-diamine
CID 163646531
N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
CID 164637347
2-(tetrahydro-2H-pyran-4-yl)-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
CID 86716371
1-(Oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 141403702
5-(Oxan-4-yl)-2-(trifluoromethyl)pyrimidine
CID 141720638
5-Butan-2-yl-2-(3-fluoropropoxy)pyrimidine
CID 178762101
3-(2-Fluoro-2-pyrimidin-5-ylpropyl)morpholine
CID 116011389
(2S)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 129409498
(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 129409499

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (CID 67478722) is 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(CC2CCOCC2)c(N)n1.
What is the InChIKey of 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PLOOBRHAGOGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H4,11,12,13,14).
What are the key properties of 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67478722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).