6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine

C13H23N7 — CID 156717764

IUPAC6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(CNc2nc(N)nc(N3CCCNCC3)n2)CC1
InChIInChI=1S/C13H23N7/c1-13(3-4-13)9-16-11-17-10(14)18-12(19-11)20-7-2-5-15-6-8-20/h15H,2-9H2,1H3,(H3,14,16,17,18,19)
InChIKeyMVRHPOBLPVHTOV-UHFFFAOYSA-N
MW277.38 g/mol
LogP0.47
Rot. Bonds4

About 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine

6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717764) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID156717764
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(CNc2nc(N)nc(N3CCCNCC3)n2)CC1
InChIInChI=1S/C13H23N7/c1-13(3-4-13)9-16-11-17-10(14)18-12(19-11)20-7-2-5-15-6-8-20/h15H,2-9H2,1H3,(H3,14,16,17,18,19)
InChIKeyMVRHPOBLPVHTOV-UHFFFAOYSA-N
XLogP0.47
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine (CID 156717764) is 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine is CC1(CNc2nc(N)nc(N3CCCNCC3)n2)CC1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MVRHPOBLPVHTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-13(3-4-13)9-16-11-17-10(14)18-12(19-11)20-7-2-5-15-6-8-20/h15H,2-9H2,1H3,(H3,14,16,17,18,19).
What are the key properties of 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 277.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).