4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol

C15H26N4O2 — CID 114950656

IUPAC4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
SMILESCC(C)NCc1cnc(N(C)CC2(O)CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-12(2)16-8-13-9-17-14(18-10-13)19(3)11-15(20)4-6-21-7-5-15/h9-10,12,16,20H,4-8,11H2,1-3H3
InChIKeyJVGCGJLREXDDPS-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.95
Rot. Bonds6

About 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol

4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol (PubChem CID 114950656) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
PubChem CID114950656
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
SMILESCC(C)NCc1cnc(N(C)CC2(O)CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-12(2)16-8-13-9-17-14(18-10-13)19(3)11-15(20)4-6-21-7-5-15/h9-10,12,16,20H,4-8,11H2,1-3H3
InChIKeyJVGCGJLREXDDPS-UHFFFAOYSA-N
XLogP0.95
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640
1-[[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950566
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
CID 113499719
N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 113388114
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114950054
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 105416018
1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950578

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol (CID 114950656) is 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol is CC(C)NCc1cnc(N(C)CC2(O)CCOCC2)nc1.
What is the InChIKey of 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol?
The InChIKey is JVGCGJLREXDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)16-8-13-9-17-14(18-10-13)19(3)11-15(20)4-6-21-7-5-15/h9-10,12,16,20H,4-8,11H2,1-3H3.
What are the key properties of 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol?
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 294.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114950656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).