1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

C17H22N6 — CID 129000168

IUPAC1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1ncccn1)C1CCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H22N6/c1-22(12-15-18-7-2-8-19-15)14-6-10-23(11-14)16-5-9-20-17(21-16)13-3-4-13/h2,5,7-9,13-14H,3-4,6,10-12H2,1H3
InChIKeySMKYDWIBXORVRV-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.85
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 129000168) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID129000168
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1ncccn1)C1CCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H22N6/c1-22(12-15-18-7-2-8-19-15)14-6-10-23(11-14)16-5-9-20-17(21-16)13-3-4-13/h2,5,7-9,13-14H,3-4,6,10-12H2,1H3
InChIKeySMKYDWIBXORVRV-UHFFFAOYSA-N
XLogP1.85
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (CID 129000168) is 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is CN(Cc1ncccn1)C1CCN(c2ccnc(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is SMKYDWIBXORVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-22(12-15-18-7-2-8-19-15)14-6-10-23(11-14)16-5-9-20-17(21-16)13-3-4-13/h2,5,7-9,13-14H,3-4,6,10-12H2,1H3.
What are the key properties of 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 310.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 129000168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).