4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine

C13H21ClN4 — CID 114043961

IUPAC4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(N2CCC(C(C)(C)C)C2)c1N
InChIInChI=1S/C13H21ClN4/c1-8-10(15)11(17-12(14)16-8)18-6-5-9(7-18)13(2,3)4/h9H,5-7,15H2,1-4H3
InChIKeyBDDHXTSNHCTXRE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds1

About 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine

4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine (PubChem CID 114043961) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine
PubChem CID114043961
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(N2CCC(C(C)(C)C)C2)c1N
InChIInChI=1S/C13H21ClN4/c1-8-10(15)11(17-12(14)16-8)18-6-5-9(7-18)13(2,3)4/h9H,5-7,15H2,1-4H3
InChIKeyBDDHXTSNHCTXRE-UHFFFAOYSA-N
XLogP2.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043962
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103322436
2-(3-tert-butylpyrrolidin-1-yl)-3-(chloromethyl)-4,6-dimethylpyridine
CID 113418487
4-(3-tert-butylpyrrolidin-1-yl)-5-(chloromethyl)-2-methylpyrimidine
CID 114215543
2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 114271950
4-(3-tert-butylpyrrolidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553442
1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 113419170
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
CID 55230084
1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 95928585
5-bromo-4-(3-tert-butylpyrrolidin-1-yl)-2-methylaniline
CID 114048327
2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine
CID 102768988

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine (CID 114043961) is 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine is Cc1nc(Cl)nc(N2CCC(C(C)(C)C)C2)c1N.
What is the InChIKey of 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
The InChIKey is BDDHXTSNHCTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-8-10(15)11(17-12(14)16-8)18-6-5-9(7-18)13(2,3)4/h9H,5-7,15H2,1-4H3.
What are the key properties of 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine?
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine has a molecular weight of 268.79 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine is sourced from PubChem (CID 114043961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).