N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C14H19N5O2 — CID 126442663

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1cc(CNc2cc([C@@H]3CCOC3)ncn2)[nH]n1
InChIInChI=1S/C14H19N5O2/c1-20-8-12-4-11(18-19-12)6-15-14-5-13(16-9-17-14)10-2-3-21-7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)(H,15,16,17)/t10-/m1/s1
InChIKeyRGJKNXKBWPVRRV-SNVBAGLBSA-N
MW289.34 g/mol
LogP1.46
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126442663) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126442663
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1cc(CNc2cc([C@@H]3CCOC3)ncn2)[nH]n1
InChIInChI=1S/C14H19N5O2/c1-20-8-12-4-11(18-19-12)6-15-14-5-13(16-9-17-14)10-2-3-21-7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)(H,15,16,17)/t10-/m1/s1
InChIKeyRGJKNXKBWPVRRV-SNVBAGLBSA-N
XLogP1.46
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 126442663) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is COCc1cc(CNc2cc([C@@H]3CCOC3)ncn2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RGJKNXKBWPVRRV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-8-12-4-11(18-19-12)6-15-14-5-13(16-9-17-14)10-2-3-21-7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)(H,15,16,17)/t10-/m1/s1.
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126442663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).