6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine

C14H25N7 — CID 68551068

IUPAC6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCNCC3)nc(N)n2)CC1
InChIInChI=1S/C14H25N7/c1-20-6-8-21(9-7-20)13-10-12(18-14(15)19-13)17-11-2-4-16-5-3-11/h10-11,16H,2-9H2,1H3,(H3,15,17,18,19)
InChIKeyIFLYLUUEJVSMFZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP-0.03
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine

6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 68551068) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID68551068
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCNCC3)nc(N)n2)CC1
InChIInChI=1S/C14H25N7/c1-20-6-8-21(9-7-20)13-10-12(18-14(15)19-13)17-11-2-4-16-5-3-11/h10-11,16H,2-9H2,1H3,(H3,15,17,18,19)
InChIKeyIFLYLUUEJVSMFZ-UHFFFAOYSA-N
XLogP-0.03
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 68551068) is 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine is CN1CCN(c2cc(NC3CCNCC3)nc(N)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is IFLYLUUEJVSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-20-6-8-21(9-7-20)13-10-12(18-14(15)19-13)17-11-2-4-16-5-3-11/h10-11,16H,2-9H2,1H3,(H3,15,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 68551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).