4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine

C20H27N5O — CID 56865377

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCCC3)n2)c(C)n1
InChIInChI=1S/C20H27N5O/c1-14-6-7-16(15(2)22-14)17-8-9-21-20(23-17)24-18-12-26-13-19(18)25-10-4-3-5-11-25/h6-9,18-19H,3-5,10-13H2,1-2H3,(H,21,23,24)/t18-,19-/m0/s1
InChIKeyNWSQEPCLYDSLAQ-OALUTQOASA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds4

About 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine (PubChem CID 56865377) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine
PubChem CID56865377
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCCC3)n2)c(C)n1
InChIInChI=1S/C20H27N5O/c1-14-6-7-16(15(2)22-14)17-8-9-21-20(23-17)24-18-12-26-13-19(18)25-10-4-3-5-11-25/h6-9,18-19H,3-5,10-13H2,1-2H3,(H,21,23,24)/t18-,19-/m0/s1
InChIKeyNWSQEPCLYDSLAQ-OALUTQOASA-N
XLogP2.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine (CID 56865377) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCCC3)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The InChIKey is NWSQEPCLYDSLAQ-OALUTQOASA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-6-7-16(15(2)22-14)17-8-9-21-20(23-17)24-18-12-26-13-19(18)25-10-4-3-5-11-25/h6-9,18-19H,3-5,10-13H2,1-2H3,(H,21,23,24)/t18-,19-/m0/s1.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 56865377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).