2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine

C14H26N6 — CID 150469480

IUPAC2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
SMILESCN(C1=NC(N)(N2CCCC2)C=CN1)C1CCNCC1
InChIInChI=1S/C14H26N6/c1-19(12-4-7-16-8-5-12)13-17-9-6-14(15,18-13)20-10-2-3-11-20/h6,9,12,16H,2-5,7-8,10-11,15H2,1H3,(H,17,18)
InChIKeyHRMKYPYCQCUSQB-UHFFFAOYSA-N
MW278.40 g/mol
LogP-0.15
Rot. Bonds2

About 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine

2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine (PubChem CID 150469480) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
PubChem CID150469480
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
SMILESCN(C1=NC(N)(N2CCCC2)C=CN1)C1CCNCC1
InChIInChI=1S/C14H26N6/c1-19(12-4-7-16-8-5-12)13-17-9-6-14(15,18-13)20-10-2-3-11-20/h6,9,12,16H,2-5,7-8,10-11,15H2,1H3,(H,17,18)
InChIKeyHRMKYPYCQCUSQB-UHFFFAOYSA-N
XLogP-0.15
TPSA68.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine (CID 150469480) is 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine is CN(C1=NC(N)(N2CCCC2)C=CN1)C1CCNCC1.
What is the InChIKey of 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is HRMKYPYCQCUSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-19(12-4-7-16-8-5-12)13-17-9-6-14(15,18-13)20-10-2-3-11-20/h6,9,12,16H,2-5,7-8,10-11,15H2,1H3,(H,17,18).
What are the key properties of 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine?
2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).