N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C18H21N5O2 — CID 126429104

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3ccccc3n2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C18H21N5O2/c1-24-12-17-21-15(13-5-7-25-11-13)8-16(22-17)19-9-14-10-23-6-3-2-4-18(23)20-14/h2-4,6,8,10,13H,5,7,9,11-12H2,1H3,(H,19,21,22)/t13-/m0/s1
InChIKeyMZYJYLGAPXQUMC-ZDUSSCGKSA-N
MW339.40 g/mol
LogP2.39
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126429104) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126429104
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3ccccc3n2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C18H21N5O2/c1-24-12-17-21-15(13-5-7-25-11-13)8-16(22-17)19-9-14-10-23-6-3-2-4-18(23)20-14/h2-4,6,8,10,13H,5,7,9,11-12H2,1H3,(H,19,21,22)/t13-/m0/s1
InChIKeyMZYJYLGAPXQUMC-ZDUSSCGKSA-N
XLogP2.39
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126447830
2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119061530
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118787512
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070356
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126450398
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4,6-dimethylpyridin-2-amine
CID 4702007
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62088229
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyloxan-4-amine
CID 103888013

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126429104) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is COCc1nc(NCc2cn3ccccc3n2)cc([C@H]2CCOC2)n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is MZYJYLGAPXQUMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-12-17-21-15(13-5-7-25-11-13)8-16(22-17)19-9-14-10-23-6-3-2-4-18(23)20-14/h2-4,6,8,10,13H,5,7,9,11-12H2,1H3,(H,19,21,22)/t13-/m0/s1.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).