6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

C14H20ClN3 — CID 114114406

IUPAC6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC(C)C1(CNc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H20ClN3/c1-9(2)14(5-6-14)8-16-12-7-11(15)17-13(18-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyOXBPBCHFVYVRJZ-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.86
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 114114406) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID114114406
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC(C)C1(CNc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C14H20ClN3/c1-9(2)14(5-6-14)8-16-12-7-11(15)17-13(18-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyOXBPBCHFVYVRJZ-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (CID 114114406) is 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is CC(C)C1(CNc2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is OXBPBCHFVYVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(2)14(5-6-14)8-16-12-7-11(15)17-13(18-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114114406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).