4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

C11H21N5 — CID 152770704

IUPAC4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCC2)C=CN1
InChIInChI=1S/C11H21N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h5-6H,1-4,7-9,13H2,(H3,12,14,15)
InChIKeyYVLWSIWVTCENGW-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.05
Rot. Bonds4

About 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 152770704) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID152770704
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCC2)C=CN1
InChIInChI=1S/C11H21N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h5-6H,1-4,7-9,13H2,(H3,12,14,15)
InChIKeyYVLWSIWVTCENGW-UHFFFAOYSA-N
XLogP-0.05
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]-1H-pyrimidine-2,4-diamine
CID 154224986
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
CID 69056175
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162530
4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine
CID 150249374
4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154107185
4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 154137087
4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 154138146
4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154150047
4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154177370

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (CID 152770704) is 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CCCC2)C=CN1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is YVLWSIWVTCENGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h5-6H,1-4,7-9,13H2,(H3,12,14,15).
What are the key properties of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152770704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).