2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine

C21H30N6 — CID 138501464

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1
InChIKeySJRFKTBEMQHUCF-IBGZPJMESA-N
MW366.51 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 138501464) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID138501464
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1
InChIKeySJRFKTBEMQHUCF-IBGZPJMESA-N
XLogP2.58
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine (CID 138501464) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine is Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is SJRFKTBEMQHUCF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 138501464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).