N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

C11H20N4 — CID 114553106

IUPACN-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCCCNCCCNCc1ncccn1
InChIInChI=1S/C11H20N4/c1-2-5-12-6-3-7-13-10-11-14-8-4-9-15-11/h4,8-9,12-13H,2-3,5-7,10H2,1H3
InChIKeySPPRVNMWQFAIHN-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.96
Rot. Bonds8

About N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 114553106) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
PubChem CID114553106
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCCCNCCCNCc1ncccn1
InChIInChI=1S/C11H20N4/c1-2-5-12-6-3-7-13-10-11-14-8-4-9-15-11/h4,8-9,12-13H,2-3,5-7,10H2,1H3
InChIKeySPPRVNMWQFAIHN-UHFFFAOYSA-N
XLogP0.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
CID 107845269
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
4-(pyrimidin-2-ylmethylamino)butanamide
CID 62700289
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
3,3,3-trifluoro-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 63226377
1-[3-(propylamino)propyl]pyrimidin-2-one
CID 61386974
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-(2-methoxyethoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62699364
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (CID 114553106) is N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is CCCNCCCNCc1ncccn1.
What is the InChIKey of N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is SPPRVNMWQFAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-5-12-6-3-7-13-10-11-14-8-4-9-15-11/h4,8-9,12-13H,2-3,5-7,10H2,1H3.
What are the key properties of N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 114553106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).