6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C14H18N6 — CID 171996018

IUPAC6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnccn3)C2)ncn1
InChIInChI=1S/C14H18N6/c1-11-6-14(18-10-17-11)19-12-2-5-20(8-12)9-13-7-15-3-4-16-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyRXBPGJZZCOWGHS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.26
Rot. Bonds4

About 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171996018) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171996018
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnccn3)C2)ncn1
InChIInChI=1S/C14H18N6/c1-11-6-14(18-10-17-11)19-12-2-5-20(8-12)9-13-7-15-3-4-16-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyRXBPGJZZCOWGHS-UHFFFAOYSA-N
XLogP1.26
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 171996018) is 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3cnccn3)C2)ncn1.
What is the InChIKey of 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is RXBPGJZZCOWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-11-6-14(18-10-17-11)19-12-2-5-20(8-12)9-13-7-15-3-4-16-13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171996018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).