N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C18H25N5O2 — CID 126450756

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc([C@H]2CCOC2)cc(N(C)Cc2cc(C3CC3)n[nH]2)n1
InChIInChI=1S/C18H25N5O2/c1-23(9-14-7-16(22-21-14)12-3-4-12)18-8-15(13-5-6-25-10-13)19-17(20-18)11-24-2/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyXTEJYJGMHFRDGM-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds7

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126450756) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126450756
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc([C@H]2CCOC2)cc(N(C)Cc2cc(C3CC3)n[nH]2)n1
InChIInChI=1S/C18H25N5O2/c1-23(9-14-7-16(22-21-14)12-3-4-12)18-8-15(13-5-6-25-10-13)19-17(20-18)11-24-2/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyXTEJYJGMHFRDGM-ZDUSSCGKSA-N
XLogP2.36
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126450756) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is COCc1nc([C@H]2CCOC2)cc(N(C)Cc2cc(C3CC3)n[nH]2)n1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is XTEJYJGMHFRDGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23(9-14-7-16(22-21-14)12-3-4-12)18-8-15(13-5-6-25-10-13)19-17(20-18)11-24-2/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126450756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).