3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine

C16H20N4O — CID 134698415

IUPAC3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
SMILESCc1cnc(C)c(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O/c1-11-8-18-12(2)16(19-11)20-15-10-21-9-14(15)7-13-3-5-17-6-4-13/h3-6,8,14-15H,7,9-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRAXSKTLBSGVIOZ-HUUCEWRRSA-N
MW284.36 g/mol
LogP2.16
Rot. Bonds4

About 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine

3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine (PubChem CID 134698415) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
PubChem CID134698415
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
SMILESCc1cnc(C)c(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O/c1-11-8-18-12(2)16(19-11)20-15-10-21-9-14(15)7-13-3-5-17-6-4-13/h3-6,8,14-15H,7,9-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRAXSKTLBSGVIOZ-HUUCEWRRSA-N
XLogP2.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135097590
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364
5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 135113362
4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 135101105
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
4-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 66238504
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
CID 135104961
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889
2-ethyl-4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 134713583

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine (CID 134698415) is 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine is Cc1cnc(C)c(N[C@@H]2COC[C@H]2Cc2ccncc2)n1.
What is the InChIKey of 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine?
The InChIKey is RAXSKTLBSGVIOZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-18-12(2)16(19-11)20-15-10-21-9-14(15)7-13-3-5-17-6-4-13/h3-6,8,14-15H,7,9-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine?
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine is sourced from PubChem (CID 134698415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).