6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine

C16H25N9 — CID 56715150

IUPAC6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(CN2CCN(c3cc(N)nc(N)n3)CC2)cn1
InChIInChI=1S/C16H25N9/c1-2-3-19-16-20-9-12(10-21-16)11-24-4-6-25(7-5-24)14-8-13(17)22-15(18)23-14/h8-10H,2-7,11H2,1H3,(H,19,20,21)(H4,17,18,22,23)
InChIKeyCFKJVMBSRDKSMF-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.58
Rot. Bonds6

About 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine

6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 56715150) has the molecular formula C16H25N9 and a molecular weight of 343.44 g/mol. Its IUPAC name is 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID56715150
Molecular FormulaC16H25N9
Molecular Weight343.44 g/mol
Exact Mass343.22
IUPAC Name6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(CN2CCN(c3cc(N)nc(N)n3)CC2)cn1
InChIInChI=1S/C16H25N9/c1-2-3-19-16-20-9-12(10-21-16)11-24-4-6-25(7-5-24)14-8-13(17)22-15(18)23-14/h8-10H,2-7,11H2,1H3,(H,19,20,21)(H4,17,18,22,23)
InChIKeyCFKJVMBSRDKSMF-UHFFFAOYSA-N
XLogP0.58
TPSA122.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 121440416
5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50966673
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 80824437
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 112881940
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 56870741
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 56715150) is 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine is CCCNc1ncc(CN2CCN(c3cc(N)nc(N)n3)CC2)cn1.
What is the InChIKey of 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is CFKJVMBSRDKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N9/c1-2-3-19-16-20-9-12(10-21-16)11-24-4-6-25(7-5-24)14-8-13(17)22-15(18)23-14/h8-10H,2-7,11H2,1H3,(H,19,20,21)(H4,17,18,22,23).
What are the key properties of 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 343.44 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56715150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).