4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C17H22N6 — CID 125000486

IUPAC4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ncn1
InChIInChI=1S/C17H22N6/c1-2-10-22(9-1)17-19-8-5-14(21-17)12-23-11-3-4-16(23)15-6-7-18-13-20-15/h5-8,13,16H,1-4,9-12H2/t16-/m1/s1
InChIKeyRWAIXONBCIBMTO-MRXNPFEDSA-N
MW310.40 g/mol
LogP2.20
Rot. Bonds4

About 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 125000486) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID125000486
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ncn1
InChIInChI=1S/C17H22N6/c1-2-10-22(9-1)17-19-8-5-14(21-17)12-23-11-3-4-16(23)15-6-7-18-13-20-15/h5-8,13,16H,1-4,9-12H2/t16-/m1/s1
InChIKeyRWAIXONBCIBMTO-MRXNPFEDSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51590087
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
4-[(2S)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954065
4-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954066
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 125000486) is 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1cc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ncn1.
What is the InChIKey of 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is RWAIXONBCIBMTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-10-22(9-1)17-19-8-5-14(21-17)12-23-11-3-4-16(23)15-6-7-18-13-20-15/h5-8,13,16H,1-4,9-12H2/t16-/m1/s1.
What are the key properties of 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 310.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 125000486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).