4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine

C12H16ClN3O — CID 103536578

IUPAC4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-17-9-4-5-16(7-9)11-6-10(13)14-12(15-11)8-2-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyNYEHJMNFAJFAHR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine (PubChem CID 103536578) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
PubChem CID103536578
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-17-9-4-5-16(7-9)11-6-10(13)14-12(15-11)8-2-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyNYEHJMNFAJFAHR-UHFFFAOYSA-N
XLogP2.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
CID 124850877
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 102963287
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 103541717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine (CID 103536578) is 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine is COC1CCN(c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine?
The InChIKey is NYEHJMNFAJFAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-17-9-4-5-16(7-9)11-6-10(13)14-12(15-11)8-2-3-8/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine has a molecular weight of 253.73 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 103536578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).