4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde

C13H18ClN3O — CID 114114412

IUPAC4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C13H18ClN3O/c1-8(2)13(4-5-13)7-15-12-10(6-18)11(14)16-9(3)17-12/h6,8H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyPSGLWLUXJVVTLN-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.10
Rot. Bonds5

About 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 114114412) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID114114412
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C13H18ClN3O/c1-8(2)13(4-5-13)7-15-12-10(6-18)11(14)16-9(3)17-12/h6,8H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyPSGLWLUXJVVTLN-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde (CID 114114412) is 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NCC2(C(C)C)CC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is PSGLWLUXJVVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8(2)13(4-5-13)7-15-12-10(6-18)11(14)16-9(3)17-12/h6,8H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 267.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 114114412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).