6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine

C14H16ClN5O — CID 82459531

IUPAC6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CCCO2)nc1NCc1ccccn1
InChIInChI=1S/C14H16ClN5O/c15-12-11(16)14(18-8-9-4-1-2-6-17-9)20-13(19-12)10-5-3-7-21-10/h1-2,4,6,10H,3,5,7-8,16H2,(H,18,19,20)
InChIKeyQUYBTBVNOLZDTR-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.57
Rot. Bonds4

About 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine

6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82459531) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82459531
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CCCO2)nc1NCc1ccccn1
InChIInChI=1S/C14H16ClN5O/c15-12-11(16)14(18-8-9-4-1-2-6-17-9)20-13(19-12)10-5-3-7-21-10/h1-2,4,6,10H,3,5,7-8,16H2,(H,18,19,20)
InChIKeyQUYBTBVNOLZDTR-UHFFFAOYSA-N
XLogP2.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
5-N-(oxolan-2-ylmethyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944366
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (CID 82459531) is 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is Nc1c(Cl)nc(C2CCCO2)nc1NCc1ccccn1.
What is the InChIKey of 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is QUYBTBVNOLZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-12-11(16)14(18-8-9-4-1-2-6-17-9)20-13(19-12)10-5-3-7-21-10/h1-2,4,6,10H,3,5,7-8,16H2,(H,18,19,20).
What are the key properties of 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 305.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).