N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C14H21N3O2 — CID 126444261

IUPACN-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESc1nc(NCC2CCOCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-18-5-2-11(1)8-15-14-7-13(16-10-17-14)12-3-6-19-9-12/h7,10-12H,1-6,8-9H2,(H,15,16,17)/t12-/m0/s1
InChIKeyLDTPZDXMNGAPOF-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds4

About N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126444261) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126444261
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESc1nc(NCC2CCOCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-18-5-2-11(1)8-15-14-7-13(16-10-17-14)12-3-6-19-9-12/h7,10-12H,1-6,8-9H2,(H,15,16,17)/t12-/m0/s1
InChIKeyLDTPZDXMNGAPOF-LBPRGKRZSA-N
XLogP1.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 126848753
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 125175212
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125170815
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126431410
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126444261) is N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is c1nc(NCC2CCOCC2)cc([C@H]2CCOC2)n1.
What is the InChIKey of N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is LDTPZDXMNGAPOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-18-5-2-11(1)8-15-14-7-13(16-10-17-14)12-3-6-19-9-12/h7,10-12H,1-6,8-9H2,(H,15,16,17)/t12-/m0/s1.
What are the key properties of N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126444261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).