N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine

C15H20N6 — CID 95817002

IUPACN,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc([C@@H]2CCCN2c2cncnc2)n1
InChIInChI=1S/C15H20N6/c1-11-7-14(20(2)3)19-15(18-11)13-5-4-6-21(13)12-8-16-10-17-9-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyYYFHHRXCFPXDKC-ZDUSSCGKSA-N
MW284.37 g/mol
LogP1.98
Rot. Bonds3

About N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 95817002) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID95817002
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc([C@@H]2CCCN2c2cncnc2)n1
InChIInChI=1S/C15H20N6/c1-11-7-14(20(2)3)19-15(18-11)13-5-4-6-21(13)12-8-16-10-17-9-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyYYFHHRXCFPXDKC-ZDUSSCGKSA-N
XLogP1.98
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine (CID 95817002) is N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc([C@@H]2CCCN2c2cncnc2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is YYFHHRXCFPXDKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-7-14(20(2)3)19-15(18-11)13-5-4-6-21(13)12-8-16-10-17-9-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95817002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).